2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-cyclohexyl-N-ethylpropanamide

C16H26N4OS — CID 18130864

IUPAC2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-cyclohexyl-N-ethylpropanamide
SMILESCCN(C(=O)C(C)Sc1nc(C)cc(N)n1)C1CCCCC1
InChIInChI=1S/C16H26N4OS/c1-4-20(13-8-6-5-7-9-13)15(21)12(3)22-16-18-11(2)10-14(17)19-16/h10,12-13H,4-9H2,1-3H3,(H2,17,18,19)
InChIKeyXBWCLOQZSHQMIJ-UHFFFAOYSA-N
MW322.48 g/mol
LogP3.03
Rot. Bonds5

About 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-cyclohexyl-N-ethylpropanamide

2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-cyclohexyl-N-ethylpropanamide (PubChem CID 18130864) has the molecular formula C16H26N4OS and a molecular weight of 322.48 g/mol. Its IUPAC name is 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-cyclohexyl-N-ethylpropanamide.

Molecular Properties

Compound Name2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-cyclohexyl-N-ethylpropanamide
PubChem CID18130864
Molecular FormulaC16H26N4OS
Molecular Weight322.48 g/mol
Exact Mass322.18
IUPAC Name2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-cyclohexyl-N-ethylpropanamide
SMILESCCN(C(=O)C(C)Sc1nc(C)cc(N)n1)C1CCCCC1
InChIInChI=1S/C16H26N4OS/c1-4-20(13-8-6-5-7-9-13)15(21)12(3)22-16-18-11(2)10-14(17)19-16/h10,12-13H,4-9H2,1-3H3,(H2,17,18,19)
InChIKeyXBWCLOQZSHQMIJ-UHFFFAOYSA-N
XLogP3.03
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.48
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-cyclohexyl-N-ethylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-cyclohexyl-N-ethylpropanamide?
The IUPAC name of 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-cyclohexyl-N-ethylpropanamide (CID 18130864) is 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-cyclohexyl-N-ethylpropanamide.
What is the SMILES notation for 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-cyclohexyl-N-ethylpropanamide?
The canonical SMILES for 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-cyclohexyl-N-ethylpropanamide is CCN(C(=O)C(C)Sc1nc(C)cc(N)n1)C1CCCCC1.
What is the InChIKey of 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-cyclohexyl-N-ethylpropanamide?
The InChIKey is XBWCLOQZSHQMIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4OS/c1-4-20(13-8-6-5-7-9-13)15(21)12(3)22-16-18-11(2)10-14(17)19-16/h10,12-13H,4-9H2,1-3H3,(H2,17,18,19).
What are the key properties of 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-cyclohexyl-N-ethylpropanamide?
2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-cyclohexyl-N-ethylpropanamide has a molecular weight of 322.48 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-cyclohexyl-N-ethylpropanamide is sourced from PubChem (CID 18130864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).